Catalyst prediction on private dataset
78.1Top-1 SimilarityChemMAS
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| ChemMASModel Type=Zero-shot LLMs2025.09 | 78.1 | 92.3 | 96.3 | |
| Gemini2.5-ProModel Type=Zero-shot LLMs2025.09 | 63.4 | 79.4 | 80.5 | |
| GPT5Model Type=Zero-shot LLMs2025.09 | 62.7 | 74.2 | 83.2 | |
| Qwen3-235B-A22BModel Type=Zero-shot LLMs2025.09 | 55.4 | 75.2 | 77.9 | |
| DeepSeek-R1Model Type=Zero-shot LLMs2025.09 | 52.8 | 69.4 | 73.2 | |
| Claude3.7-SonnetModel Type=Zero-shot LLMs2025.09 | 43.6 | 52.9 | 60.1 | |
| MM RCRModel Type=Pretrained Models2025.09 | 43.4 | 60.1 | 75.9 | |
| RCRModel Type=Pretrained Models2025.09 | 40.3 | 52.6 | 60.7 | |
| Reagent TransformerModel Type=Pretrained Models2025.09 | 35.3 | 49.3 | 56.6 |